UCSF

ZINC36881798

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.95 3.83 -14.22 1 4 0 63 275.757 6
Mid Mid (pH 6-8) 1.95 4 -44.51 0 4 -1 65 274.749 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )